3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C20H26N2O5S — CID 42919947

IUPAC3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCOc1cc(CCC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(OC)c1
InChIInChI=1S/C20H26N2O5S/c1-14(16-6-8-19(9-7-16)28(21,24)25)22(2)20(23)10-5-15-11-17(26-3)13-18(12-15)27-4/h6-9,11-14H,5,10H2,1-4H3,(H2,21,24,25)
InChIKeyICIFHTNOHZQQOJ-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.50
Rot. Bonds8

About 3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 42919947) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID42919947
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCOc1cc(CCC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(OC)c1
InChIInChI=1S/C20H26N2O5S/c1-14(16-6-8-19(9-7-16)28(21,24)25)22(2)20(23)10-5-15-11-17(26-3)13-18(12-15)27-4/h6-9,11-14H,5,10H2,1-4H3,(H2,21,24,25)
InChIKeyICIFHTNOHZQQOJ-UHFFFAOYSA-N
XLogP2.50
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51292168
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 55574875
4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 55439563
N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 46546176
2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42919756
2-(4-chlorophenoxy)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253861
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51254300
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 42919947) is 3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is COc1cc(CCC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is ICIFHTNOHZQQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-14(16-6-8-19(9-7-16)28(21,24)25)22(2)20(23)10-5-15-11-17(26-3)13-18(12-15)27-4/h6-9,11-14H,5,10H2,1-4H3,(H2,21,24,25).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 406.50 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 42919947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).